4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[1-[2-(1-ethylpiperidin-4-yl)phenyl]-2-methylpropan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine

C32H40F2N8O — CID 66571374

About 4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[1-[2-(1-ethylpiperidin-4-yl)phenyl]-2-methylpropan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine

4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[1-[2-(1-ethylpiperidin-4-yl)phenyl]-2-methylpropan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine (PubChem CID 66571374) has the molecular formula C32H40F2N8O and a molecular weight of 590.72 g/mol. Its IUPAC name is 4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[1-[2-(1-ethylpiperidin-4-yl)phenyl]-2-methylpropan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine.

Molecular Properties

• Compound Name: 4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[1-[2-(1-ethylpiperidin-4-yl)phenyl]-2-methylpropan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine
• PubChem CID: 66571374
• Molecular Formula: C32H40F2N8O
• Molecular Weight: 590.72 g/mol
• Exact Mass: 590.33
• IUPAC Name: 4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[1-[2-(1-ethylpiperidin-4-yl)phenyl]-2-methylpropan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine
• SMILES: CCN1CCC(c2ccccc2CC(C)(C)Nc2nc(N3CCOCC3)nc(-n3c(C(F)F)nc4ccccc43)n2)CC1
• InChI: InChI=1S/C32H40F2N8O/c1-4-40-15-13-22(14-16-40)24-10-6-5-9-23(24)21-32(2,3)39-29-36-30(41-17-19-43-20-18-41)38-31(37-29)42-26-12-8-7-11-25(26)35-28(42)27(33)34/h5-12,22,27H,4,13-21H2,1-3H3,(H,36,37,38,39)
• InChIKey: OMPYDTIQSINPLK-UHFFFAOYSA-N
• XLogP: 5.62
• TPSA: 84.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	590.72
LogP ≤ 5	5.62
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[1-[2-(1-ethylpiperidin-4-yl)phenyl]-2-methylpropan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine?

The IUPAC name of 4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[1-[2-(1-ethylpiperidin-4-yl)phenyl]-2-methylpropan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine (CID 66571374) is 4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[1-[2-(1-ethylpiperidin-4-yl)phenyl]-2-methylpropan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine.

What is the SMILES notation for 4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[1-[2-(1-ethylpiperidin-4-yl)phenyl]-2-methylpropan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine?

The canonical SMILES for 4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[1-[2-(1-ethylpiperidin-4-yl)phenyl]-2-methylpropan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine is CCN1CCC(c2ccccc2CC(C)(C)Nc2nc(N3CCOCC3)nc(-n3c(C(F)F)nc4ccccc43)n2)CC1.

What is the InChIKey of 4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[1-[2-(1-ethylpiperidin-4-yl)phenyl]-2-methylpropan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine?

The InChIKey is OMPYDTIQSINPLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H40F2N8O/c1-4-40-15-13-22(14-16-40)24-10-6-5-9-23(24)21-32(2,3)39-29-36-30(41-17-19-43-20-18-41)38-31(37-29)42-26-12-8-7-11-25(26)35-28(42)27(33)34/h5-12,22,27H,4,13-21H2,1-3H3,(H,36,37,38,39).

What are the key properties of 4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[1-[2-(1-ethylpiperidin-4-yl)phenyl]-2-methylpropan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine?

4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[1-[2-(1-ethylpiperidin-4-yl)phenyl]-2-methylpropan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine has a molecular weight of 590.72 g/mol, XLogP of 5.62, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[1-[2-(1-ethylpiperidin-4-yl)phenyl]-2-methylpropan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 66571374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).